N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H30N4O5S — CID 71715747

IUPACN-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C23H30N4O5S/c1-33(30,31)27-8-2-3-17(15-27)22(29)26-9-5-23(6-10-26)12-18(23)13-25-21(28)19-11-16-4-7-24-14-20(16)32-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13,15H2,1H3,(H,25,28)
InChIKeyIITKCMRUYJFBEA-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.86
Rot. Bonds5

About N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715747) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715747
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C23H30N4O5S/c1-33(30,31)27-8-2-3-17(15-27)22(29)26-9-5-23(6-10-26)12-18(23)13-25-21(28)19-11-16-4-7-24-14-20(16)32-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13,15H2,1H3,(H,25,28)
InChIKeyIITKCMRUYJFBEA-UHFFFAOYSA-N
XLogP1.86
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715747) is N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1.
What is the InChIKey of N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IITKCMRUYJFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-33(30,31)27-8-2-3-17(15-27)22(29)26-9-5-23(6-10-26)12-18(23)13-25-21(28)19-11-16-4-7-24-14-20(16)32-19/h4,7,11,14,17-18H,2-3,5-6,8-10,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylsulfonylpiperidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).